(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate

C24H29N5O5S — CID 123834232

IUPAC(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate
SMILESNC(=O)Nc1sc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C24H29N5O5S/c25-23(32)27-20-18(22(31)34-17-8-5-11-29(14-17)24(26)33)13-19(35-20)15-6-4-7-16(12-15)21(30)28-9-2-1-3-10-28/h4,6-7,12-13,17H,1-3,5,8-11,14H2,(H2,26,33)(H3,25,27,32)
InChIKeyJUEUACQGYAVQSC-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.23
Rot. Bonds5

About (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate

(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate (PubChem CID 123834232) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate
PubChem CID123834232
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate
SMILESNC(=O)Nc1sc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C24H29N5O5S/c25-23(32)27-20-18(22(31)34-17-8-5-11-29(14-17)24(26)33)13-19(35-20)15-6-4-7-16(12-15)21(30)28-9-2-1-3-10-28/h4,6-7,12-13,17H,1-3,5,8-11,14H2,(H2,26,33)(H3,25,27,32)
InChIKeyJUEUACQGYAVQSC-UHFFFAOYSA-N
XLogP3.23
TPSA148.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate with MolForge

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Related Compounds

(1-carbamoylazepan-3-yl) 2-(carbamoylamino)-5-(3-fluorophenyl)thiophene-3-carboxylate
CID 90793053
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxylate
CID 91195730
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(2-fluorophenyl)thiophene-3-carboxylate
CID 123686220
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-ethynylthiophene-3-carboxylate
CID 90818243
(1-carbamoylazepan-3-yl) 3-(carbamoylamino)-5-(3-chlorophenyl)thiophene-2-carboxylate
CID 123791072
(1-carbamoylazepan-3-yl) 5-(4-fluorophenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 91251776
(1-carbamoylazepan-3-yl) 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-2-yl)thiophene-3-carboxylate
CID 91429533
(1-carbamoylpiperidin-3-yl) 3-(carbamoylamino)-5-(furan-3-yl)thiophene-2-carboxylate
CID 123147845
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-chlorophenyl)thiophen-2-yl]urea
CID 52946129
ethyl 2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
CID 40575843
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate?
The IUPAC name of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate (CID 123834232) is (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate.
What is the SMILES notation for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate?
The canonical SMILES for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate is NC(=O)Nc1sc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(=O)OC1CCCN(C(N)=O)C1.
What is the InChIKey of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate?
The InChIKey is JUEUACQGYAVQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c25-23(32)27-20-18(22(31)34-17-8-5-11-29(14-17)24(26)33)13-19(35-20)15-6-4-7-16(12-15)21(30)28-9-2-1-3-10-28/h4,6-7,12-13,17H,1-3,5,8-11,14H2,(H2,26,33)(H3,25,27,32).
What are the key properties of (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate?
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate has a molecular weight of 499.59 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-[3-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxylate is sourced from PubChem (CID 123834232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).